element(s): ['Na'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.669', '1.6326519'] model name: EAM_Dynamo_NicholAckland_2016_Na__MO_048172193005_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Na'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[3.669, 0, 0], [-1.8345, 3.1774472064851, 0], [0, 0, 5.9902]] ========================================= Step Time Energy fmax BFGS: 0 15:52:38 -2.159443 0.191410 BFGS: 1 15:52:38 -2.161004 0.190659 BFGS: 2 15:52:38 -2.190102 0.193482 BFGS: 3 15:52:38 -2.215131 0.127972 BFGS: 4 15:52:38 -2.224325 0.018867 BFGS: 5 15:52:38 -2.224460 0.004682 BFGS: 6 15:52:38 -2.224469 0.000135 BFGS: 7 15:52:38 -2.224469 0.000036 BFGS: 8 15:52:38 -2.224469 0.000036 BFGS: 9 15:52:38 -2.224469 0.000001 BFGS: 10 15:52:38 -2.224469 0.000000 BFGS: 11 15:52:38 -2.224469 0.000000 Minimization converged after 11 steps. Maximum force component: 3.0344959506934674e-33 eV/Angstrom Maximum stress component: 5.409219578439913e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[3.9390009480055865, 2.6453793259055163e-17, 3.28156579980292e-39], [-1.9695004740027933, 3.411274886503825, -1.7035586643106501e-37], [-2.0875960546982275e-36, -8.47879871366083e-36, 6.432361612709233]]) forces = [[-3.03449595e-33 1.75196705e-33 -8.91769414e-71] [-3.03449595e-33 1.75196705e-33 -8.91769414e-71]] stress = [-5.40921958e-13 -5.40921958e-13 4.77256783e-13 -1.46285765e-35 1.52024626e-35 1.99904538e-28] energy per atom = -1.1122342928140534 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0